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APPLIED CATALYSIS B-ENVIRONMENTAL · 2022 · IF 24.319

In-situ-formed red phosphorus nanosheet on bulk red phosphorus for boosting charge separation in photocatalysis:The role of multiple interfacial effects

Fangyuan Chen,Shoutian Sun,Kelei Mu,Yi Li,Zhurui Shen,Sihui Zhan

Red phosphorus (RP) has recently attracted much attention in photocatalysis for its low cost, environmental benign and optical properties. However, its photocatalytic activity is still restricted since the low-charge carrier mobility and the high water-solubility. Herein, RP-S-12 h (Combination of RP nanosheet (NS) and bulk RP structure) was prepared by hydrothermal method. Results showed that the multiple reactive active sites, the energy level matching, the emergence of intermediate state and the internal unequal potential for RP-S-12 h ensured higher charge density and efficient carrier transport, improving the photocatalytic activity and stability, emphasizing the role of multiple interfacial effects. The optimum hydrogen evolution rate was 0.33 mmol g −1 h −1 , and the quantum efficiency at 420 nm is 0.45%. In addition, RP-S-12 h could completely degrade 50 ppm MO in 12 min. This study provides a novel insight into the interface design of metal-free photocatalyst for environmental remediation.

研究领域: 材料科学 · 环境科学
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ACS Applied Materials & Interfaces · 2024 · IF 8.3

Exploring the Facet-Dependent Structural Evolution of Pt/CeO2 Catalysts Induced by Typical Pretreatments for CO Oxidation

Yao Lv,Aoran Li,Jiajie Ye,Haifeng Wang,Peijun Hu,Kuan-Wen Wang,Yun Guo,Xuan Tang,Sheng Dai

Atomic-scale insights into the interactions between metals and supports play a crucial role in optimizing catalyst design, understanding catalytic mechanisms, and enhancing chemical conversion processes. The effects of oxide support on the dynamic behavior of supported metal species during pretreatments or reactions have been attracting a lot of attention; however, very less systematic integrations are carried out experimentally using real catalysts. In this study, we here utilized facet-controlled CeO2 as examples to explore their influence on the supported Pt species (1.0 wt %) during the reducing and oxidizing pretreatments that are typically applied in heterogeneous catalysts. By employing a combination of microscopy, spectroscopy, and first-principles calculations, it is demonstrated that the exposed crystal facets of CeO2 govern the evolution behavior of supported Pt species under different environmental conditions. This leads to distinct local coordinations and charge states of the Pt species, which directly influence the catalytic reactivity and can be leveraged to control the catalytic performance for CO oxidation reactions.

研究领域: 催化化学 · 材料科学
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ChemSusChem · 2023 ·Vol. 16 ·期 17 ·e202300493 · IF 8.4

Soft Carbon as Cathode with High Rate Performance for Dual-Ion Batteries via Fast PF6− Intercalation Improved by Surface Effect

Yong-Feng Shen,Meng-Meng Zhang,Dong Yan,Jia-He Lv,Tao Wu,Bin He,Wen-Cui Li

Graphical From petroleum coke : Soft carbon cathode with superb rate performance for dual-ion batteries is presented. In situ XRD and Raman show that PF 6 − anions form stage-1 graphite intercalation compounds in the surface region, and directly stage-2 in the bulk, skipping the conversion from stage-4 to stage-2 due to the benefit of surface effect. The improved reaction kinetics results in better rate performance than that of conventional graphite. Dual-ion battery is a new type of battery in which both anions and cations participate in the energy storage process. However, this unique battery configuration imposes high requirements on the cathode, which typically presents a poor rate performance due to the sluggish diffusion dynamics and intercalation reaction kinetics of anions. Herein, we report petroleum coke-based soft carbon as the cathode for dual-ion batteries, exhibiting a superior rate performance with a specific capacity of 96 mAh g −1 at a rate of 2 C and 72 mAh g −1 remained even at 50 C. In situ XRD and Raman demonstrate that the anions can directly form lower-stage graphite intercalation compounds during the charge process owing to the surface effect, skipping the long evolutionary process from higher to lower stage, thus significantly improving the rate performance. This study highlights the impact of the surface effect and provides a promising perspective for dual-ion batteries.

CAS / MDL: 7782-42-5
研究领域: 材料科学 · 电化学
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CRYSTAL GROWTH & DESIGN · 2024 · IF 3.2

Surface Accelerates Crystal Nucleation: The Case of Molnupiravir

Kangning Sun,Peizhuo Han,Changlin Yao,Yaning Zhao,Chuanchi Zhang,Yao Zhang,Jingke Jiang,Lei Wang

Molecules at the liquid/vapor interface have different properties, such as faster mobility and special packing structure, which can potentially affect crystal nucleation. However, the surface effect varies significantly among different small organic molecules and the underlying mechanism is still poorly understood. Herein, the effect of the surface on the crystal nucleation dynamics has been investigated in the glass-forming liquid molnupiravir (MPV) by measuring the crystal nucleation rates at the surface and in the bulk. It was found that the surface of the glass-forming liquid MPV could significantly enhance the nucleation rate by around six orders of magnitude without a polymorphic change. In comparison to water and acetaminophen with a surface enhancement factor of Js/Jv ≈ 105, the larger surface enhancement factor of MPV indicates a higher similarity between the nucleated crystal structure and the molecular packing at the surface. Our work enriches the surface-enhanced nucleation systems, which are beneficial to further understanding the stability of amorphous drugs.

CAS / MDL: 2349386-89-4
研究领域: 材料科学 · 药学
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ChemSusChem · 2025 · IF 6.6

PF6- and Na+ Co-intercalation in Graphite Cathode of Sodium Dual-Ion Batteries by Enhanced Surface Concentration Effect

Fan Li,Yong-Feng Shen,Bin He,Wen-Cui Li

Dual-ion batteries are attracting much attention due to the joint participation of anions and cations in the energy storage process. However, this unique battery configuration imposes high demands on the cathode, which typically presents an inferior rate performance. Herein, we employ graphite in different microcrystalline sizes as cathodes, associated with high concentration electrolyte to construct sodium dual-ion batteries. The results of in-situ XRD and Raman evidence that the surface effect is enhanced by suitably small graphite microcrystals, where a greater surface involvement affords more electro-activated regions for the ions. Furthermore, the analysis of sputtering XPS confirms that the PF6- is accompanied by the co-intercalation of Na+ into cathodes by constructing the model of concentration effect, thus accelerating the kinetic process. In conclusion, the co-intercalation of PF6- together with Na+ is demonstrated under the influence of enhanced surface concentration effect in cathodes, and thus the cathodes exhibit a superior rate performance with a capacity of 103.6 mAh g-1 at a rate of 2 C and a rate retention of 94.8% even at 50 C. This work provides new insights to explain the mechanism of ion intercalation in dual-ion batteries and offers a perspective for the construction of high energy storage systems.

CAS / MDL: 7782-42-5
研究领域: 材料科学 · 电化学
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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS · 2024 · IF 4.9

Insights into the effects of exposed facets of MoS2 on gold recovery from Au(S2O3)23- solution

Chang Liu,Qinghan Wang,Peng Chen,Kaige Sun,Jianbo Li,Luis A. Cisternas,Shaoxian Song,Feifei Jia

MoS 2 materials performed well as adsorbent for Au(S 2 O 3 ) 2 3- recovery, but the effect of its crystal facets on recovery behavior and mechanism remained unclear. In this study, flower-shaped MoS 2 with exposed (110) facet and flake-shaped MoS 2 with (002) exposed facet have been synthesized through a simple hydrothermal method, and their recovery performance and mechanism for gold from Au(S 2 O 3 ) 2 3- solution were explored. The results indicated that MoS 2 materials could recover Au(S 2 O 3 ) 2 3- via adsorption and photocatalytic reduction. Importantly, MoS 2 materials with different exposed facets displayed crystal anisotropy, which greatly affected the recovery behavior of Au(S 2 O 3 ) 2 3- . Flake-shaped MoS 2 showed better dispersibility because of stronger surface electronegativity, and flower-shaped MoS 2 displayed better photocatalysis property thanks to more activated edge sites. The better dispersibility made flake-shaped MoS 2 have higher contact probability to Au(S 2 O 3 ) 2 3- molecules, resulting in faster recovery rate as well as higher recovery for Au(S 2 O 3 ) 2 3- with low concentration. Meanwhile, flower-shaped MoS 2 with better photocatalysis property could release more photogenerated electrons, so that achieving more excellent recovery for Au(S 2 O 3 ) 2 3- with high concentration. The finding in this study enhanced the understanding about the effect of MoS 2 facets on Au(S 2 O 3 ) 2 3- recovery, which had great significance for the design of MoS 2 structure and green production of gold in the future.

CAS / MDL: 7783-18-8
研究领域: 材料科学 · 环境科学 · 化学工程
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SENSORS AND ACTUATORS B-CHEMICAL · 2022 · IF 9.221

Effect of {010} crystal facets of Bi2MoO6 and 1D/2D heterostructures for conductometric room temperature NH3 gas sensors

Kaidi Wu,Hongfeng Chai,Kaichun Xu,Marc Debliquy,Chao Zhang

High working temperature and the insufficient limits of detection limit the broad applications of semiconductor chemiresistive gas sensors. Herein, pure Bi 2 MoO 6 nanosheets and a series of one-dimensional/two-dimensional (1D/2D) multi-walled CNTs/Bi 2 MoO 6 nanocomposites were developed via a facile hydrothermal route for room-temperature ammonia monitoring. The as-synthesized samples were characterized by various analytical techniques. 0.5 wt% MWCNTs/Bi 2 MoO 6 nanocomposites showed the best sensing properties to 10–50 ppm NH 3 , including low limit of detection (157 ppb), high response (R a /R g = 44.2 @ 50 ppm), good selectivity, reproductivity, and anti-humidity sensing ability. The enhanced gas sensing mechanism was proposed based on the synergetic effect of high-energy crystal facets, modified surface characteristics and p-n heterojunction . Density functional theory (DFT) studies were also carried out to further clarify the gas sensing mechanisms. This work provides a practical approach to design and fabricate high-precision gas sensors working at room temperature .

研究领域: 材料科学 · 传感器技术 · 化学工程
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COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS · 2021 · IF 4.539

Well-coordinated dielectric properties in polymer composites bearing hybrid ceramic via interfacial effect between Ti2C MXene particles and large-aspect-ratio ZrO2 fibers

Yefeng Feng,Peiyao Chen,Bingshuang Mao,Maolin Bo,Qihuang Deng

Ultrahigh dielectric constant is obtained in polymer/MXene composites due to percolation . However, huge dielectric loss is triggered owing to high leakage current . In this work, hybrid filler consisting of Ti 2 C MXene and ZrO 2 was prepared for coordinating high dielectric constant and low dielectric loss in composites. Instead of Ti 2 C percolation, Ti 2 C/ZrO 2 interface effect mildly increased dielectric constant. Ultrahigh insulation and large aspect ratio of ZrO 2 fibers significantly reduced dielectric loss. Binary polymer/Ti 2 C and ternary polymer/Ti 2 C-ZrO 2 composites were fabricated, and better overall electric traits in ternary system were found. Ti 2 C/ZrO 2 interface effect was studied using density functional theory (DFT) calculations. Ternary composite with 12 wt% filler exhibited high dielectric constant of ~40, low dielectric loss of ~0.09 at 100 Hz and high breakdown strength of ~155 MV m −1 . This work might impulse fabrication of MXene-based hybrid fillers for dielectrics.

研究领域: 材料科学 · 电气工程
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CALPHAD-COMPUTER COUPLING OF PHASE DIAGRAMS AND THERMOCHEMISTRY · 2022 · IF 2.004

Melting and phase diagram of Au–Co alloy at nanoscale by thermodynamic modeling and key experiments

C. Zhang,Y. Wan,X.H. Liang,M.H. Rong,G.T. Ma,L. Li,C.H. Hu,Chengying Tang

Au–Co nanoparticles (NPs) were prepared by water-phase chemical reduction method with metal precursor. The samples were coated with silica by Stöber method and characterized by ultraviolet and visible spectrophotometer (UV–vis), transmission electron microscopy (TEM) to obtain the absorption spectrum , size, composition distribution of the nanoparticles. The melting behaviors of the prepared Au 8 Co 2 NPs and Au 6 Co 4 NPs were examined by differential scanning calorimetry (DSC). It was observed by DSC measurements that two endothermic effects existed in range of 700.0 K–1350.0 K, corresponding to the melting temperatures of the nanoparticles and the bulk Au–Co alloys, respectively. The surface tension, surface segregation and surface energy of Au–Co NPs of particle size and temperature were calculated by the Butler's equation. On the basis of the obtained experimental results and the Gibbs free energy contributed by surface effects of pure elements and alloys at nanoscale, the nanophase diagrams of Au–Co system with various sizes were optimized. It was indicated that the calculated nanophase diagrams were in good agreement with the experimental results. The calculated eutectic temperatures decreased with the decrease of the size.

研究领域: 材料科学 · 热力学
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MOLECULES · 2023 ·Vol. 28 ·期 7 ·3011 · IF 4.6

Enhancing Heat Transfer Behaviour of Ethylene Glycol by the Introduction of Silicon Carbide Nanoparticles: An Experimental and Molecular Dynamics Simulation Study

Xianjun Hou,Chen Chu,Hua Jiang,Mohamed Kamal Ahmed Ali,Karl D. Dearn

As the critical component of automotive engine coolant, ethylene glycol (E.G.) significantly matters in heat dissipation. In this study, the key aim is to investigate the heat transfer behaviour of E.G. as nano-additives base fluid. The heat transfer capability of E.G./SiC nanofluid (N.F.) was experimentally and theoretically evaluated via transient hot wire methods and equilibrium molecular dynamics (EMD) simulation, respectively. M.D. simulation exhibited a great ability to accurately forecast the thermal conductivity of N.F. compared with the experiment results. The results confirmed that the thermal stability of N.F. is relatively greater than that of E.G. base fluids. An improvement mechanism of thermal conductivity and thermal stability under an atomic scale via the analysis of mean square displacement (MSD) and radial distribution function (RDF) calculation was elaborately presented. Ultimately, the results indicated that the diffusion effect and the increasing transition rate of liquid atoms are responsible for thermal conductivity enhancement.Keywords:thermophysical performance;interface effect;molecular dynamic;nanofluids

CAS / MDL: 107-21-1
研究领域: 材料科学 · 热力学
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Advanced Composites and Hybrid Materials · 2018 ·Vol. 1 ·期 3 ·548-557 · IF 0

Improved dielectric permittivity and retained low loss in layer-structured films via controlling interfaces

Mao Fan,Shi Zhicheng,Wang Jing,Zhang Chao,Yang Chaoqiang,Huang Minghua

The search for high-performance dielectric materials has long been driven by the urgent needs for various modern electronics. However, enhanced permittivity is always accompanied by elevated loss, which seriously hinders the development and applications of dielectric materials. Herein, negative- k layers were introduced into layer-structured films, forming a new class of multilayer composites consisting of alternately stacked positive- k and negative- k layers. Compared with traditional multilayer composites without negative- k layers, the layered composites containing extra positive- k /negative- k interfaces exhibit superior ability in balancing the contradict parameters: permittivity and loss, yielding substantially enhanced permittivity without sacrificing the low loss. It is indicated that the permittivity was enhanced by the charge accumulations and reinforced polarizations on the interfaces between positive- k and negative- k layers. Meanwhile, the loss induced by the leakage current was suppressed by the blocked transport of carriers between adjacent layers. The trilayered 60-3.5-60 composite exhibits an enhanced dielectric constant ( ε ′ ≈ 33 @10 kHz) and retained low loss (tanδ ≈ 0.12 @10 kHz) compared with the single-layer BT/PVA composite containing 60 wt% BT fillers ( ε ′ ≈ 9.5 @10 kHz, tanδ ≈ 0.075 @10 kHz). This research offers an effective way to design and fabricate novel high-performance dielectric materials. Improved dielectric permittivity and retained low loss were obtained in layer-structured films via adjusting interfaces.

研究领域: 材料科学 · 电子工程
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Journal of Environmental Chemical Engineering · 2025 · IF 7.2

Selective Oxidation of Hydrocarbon with NHPI/Facet-Mediated α-Fe2O3 under the Visible-light at Ambient Temperature

Yuxi Li,Zhuwei Zhu,Ximai Zhang,Fengkuan Ma,Qiaohong Zhang,Chen Chen,Hongying Lü

Selective oxidation of hydrocarbon under mild conditions is one of scientific challenges. In the present work, facet effect was utilized to design an efficient catalytic system of N -hydroxyphthalimide (NHPI) and specific α-Fe 2 O 3 with different preferential crystal facets. Higher ratio of crystalline facet {110}/{104} was identified as a key factor to facilitate the interaction between NHPI molecules and surface of α-Fe 2 O 3 , then realize a higher catalytic activity. Being photo-irradiated with the blue light (455   nm, 3   W) at ambient temperature for 4   h, conversion of 92.2% was obtained for the selective oxidation of ethylbenzene with α-Fe 2 O 3 -T100 that owns more preferential crystalline facets {110}, which is about 1.8 times as high as that (51.0%) being obtained with commercial C-α-Fe 2 O 3 -{104}. The present efficient catalytic system also exhibited good universality for the selective oxidation of a series of other hydrocarbons.

CAS / MDL: 1309-37-1 524-38-9
研究领域: 催化 · 材料科学 · 化学反应工程 · 物理化学
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